Skip to content

set_mass

Set the atomic mass for a specific atom. This command can appear in the global context.

Options

atom

Specify an atom index whose mass is to be altered. Note that indexing starts at 1.

This option is mandatory.

  • The type is int
  • There is no default value.
  • The value must be greater than or equal to 1.0
mass

Specify a mass.

This option is mandatory.

  • The type is quantity
  • There is no default value.